Glycoside
GD081053
Name:
NoneFormula:
C17H27O9N3Smiles:
CCOC(=O)C(CCc1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1)C(=O)OCCAglycone:
CCOC(=O)C(CCc1cn(C)nn1)C(=O)OCCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 417.42 | Num_heavy_atoms: | 29 |
| TPSA: | 173.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD36563
Formula: C12H19O4N3
Smiles:
CCOC(=O)C(CCc1cn(C)nn1)C(=O)OCC| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 269.3 | Num_heavy_atoms: | 19 |
| TPSA: | 83.31 | NumAromaticRings: | 1 |
